| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| E422959-1ml |
1ml |
现货  |
|
| 英文别名 | econazole | 27220-47-9 | Ecostatin | Econazolum | Econazol | (+-)-Econazole | Spectazole | 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole | UNII-6Z1Y2V4A7M | NSC 187789 | NSC-187789 | 6Z1Y2V4A7M | CCRIS 9032 | Econazol [INN-Spanish] | EINECS 248-341-6 | BRN 09641 |
|---|---|
| 规格或纯度 | Moligand™, 10mM in DMSO |
| 英文名称 | Econazole |
| 储存温度 | -80℃储存 |
| 运输条件 | 超低温冰袋运输 |
| 作用类型 | 通道阻滞剂 |
| 作用机制 | TRPM2 通道阻断剂；TRPV5 通道阻断剂 |
| 产品介绍 |
Econazole是一抗真菌化合物。 Econazole is an antifungal compound of the imidazole class. Application Econazole is a broad spectrum antimycotic with some action against Gram positive bacteria. |
| pKa值 | pKₐ: 6.68 (Predicted) |
|---|---|
| Ki Data | Serotonin transporter: Ki= 225 nM (human); mAChR M4: Ki= 296 nM (human); CYP17A1: Ki= 325 nM (human); mAChR M3: Ki= 379 nM (human); DOR-1: Ki= 508 nM (human) |
| IC50 | TXA synthase: IC₅₀= 29 nM (human); CYP2C19: IC₅₀= 40 nM (human); CYP51: IC₅₀= 50 nM (human); CYP3A4: IC₅₀= 50 nM (human); CYP2C9: IC₅₀= 200 nM (human) |
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| 作用机制 | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | 参考文献 |
|---|
| EC号 | 248-341-6 |
|---|---|
| 分子类型 | 小分子 |
| IUPAC Name | 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole |
| INCHI | InChI=1S/C18H15Cl3N2O/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21/h1-9,12,18H,10-11H2 |
| InChi Key | LEZWWPYKPKIXLL-UHFFFAOYSA-N |
| Canonical SMILES | C1=CC(=CC=C1COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl |
| Isomeric SMILES | C1=CC(=CC=C1COC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)Cl |
| 分子量 | 381.68 |
| Beilstein号 | 964150 |
| Reaxy-Rn | 964150 |
| Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=964150&ln= |
| 折光率 | n20D1.62 (Predicted) |
|---|---|
| 沸点 | ~533.8° C at 760 mmHg (Predicted) |
| 熔点 | 91-94° C |
| 分子量 | 381.700 g/mol |
| XLogP3 | 5.300 |
| 氢键供体数Hydrogen Bond Donor Count | 0 |
| 氢键受体数Hydrogen Bond Acceptor Count | 2 |
| 可旋转键计数Rotatable Bond Count | 6 |
| 精确质量Exact Mass | 380.025 Da |
| 单同位素质量Monoisotopic Mass | 380.025 Da |
| 拓扑极表面积Topological Polar Surface Area | 27.100 Ų |
| 重原子数Heavy Atom Count | 24 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 379.000 |
| 同位素原子数Isotope Atom Count | 0 |
| 定义的原子立体中心计数Defined Atom Stereocenter Count | 0 |
| 未定义的原子立体中心计数Undefined Atom Stereocenter Count | 1 |
| 定义的键立体中心计数Defined Bond Stereocenter Count | 0 |
| 未定义的键立体中心计数Undefined Bond Stereocenter Count | 0 |
| 所有立体化学键的总数The total count of all stereochemical bonds | 0 |
| 共价键合单元计数Covalently-Bonded Unit Count | 1 |
| Concentration | 9-11（mmol/L） |
|---|---|
| Proton NMR spectrum | Conforms to Structure |
| 1. Meng-Yao Wu, Fan-Zhi Bu, Yu Yu, Yue-Ming Yu, Zhi-Yong Wu, Cui-Wei Yan, Yan-Tuan Li. (2022) The comparison researches of cis/trans-butenedioic acids in regulating solid crystalline forms and improving pharmaceutical properties of antifungal drug econazole. JOURNAL OF MOLECULAR STRUCTURE, 1263 (133183). [10.1016/j.molstruc.2022.133183] |
| 2. Yangjie LI, Jiaying HUANG, Jihui FANG, Zhiye HUANG. (2022) [Fast screening and confirmation of 73 common prohibited compounds in cosmetics by ultra performance liquid chromatography-quadrupole-time-of-flight high resolution mass spectrometry].. Chinese Journal of Chromatography, 40 (5): (433-442). [PMID:35478002] [10.3724/sp.j.1123.2021.09010] |
| 1. Meng-Yao Wu, Fan-Zhi Bu, Yu Yu, Yue-Ming Yu, Zhi-Yong Wu, Cui-Wei Yan, Yan-Tuan Li. (2022) The comparison researches of cis/trans-butenedioic acids in regulating solid crystalline forms and improving pharmaceutical properties of antifungal drug econazole. JOURNAL OF MOLECULAR STRUCTURE, 1263 (133183). [10.1016/j.molstruc.2022.133183] |
| 2. Yangjie LI, Jiaying HUANG, Jihui FANG, Zhiye HUANG. (2022) [Fast screening and confirmation of 73 common prohibited compounds in cosmetics by ultra performance liquid chromatography-quadrupole-time-of-flight high resolution mass spectrometry].. Chinese Journal of Chromatography, 40 (5): (433-442). [PMID:35478002] [10.3724/sp.j.1123.2021.09010] |
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